Hybrid Materials Based on Magnetic Iron Oxides with Benzothiazole Derivatives: A Plausible Potential Spectroscopy Probe
Corrêa, Silviana, Rosa, Isael Aparecido, Andolpho, Gustavo A, Assis, Letícia Cristina de, Pires, Maíra Dos S, Lacerda, Lívia C T, Nogueira, Francisco G E, Cunha, Elaine F F da, Nepovimova, Eugenie, Kuca, Kamil, Ramalho, Teodorico C
Published in International journal of molecular sciences (12.04.2021)
Published in International journal of molecular sciences (12.04.2021)
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Does induced current density explain the C-H and C-F Perlin effects?
Martins, Francisco A, Pires, Felipe C, da Cunha, Elaine F. F, Freitas, Matheus P
Published in Physical chemistry chemical physics : PCCP (28.08.2019)
Published in Physical chemistry chemical physics : PCCP (28.08.2019)
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A newly developed oxime K203 is the most effective reactivator of tabun-inhibited acetylcholinesterase
Kuca, Kamil, Musilek, Kamil, Jun, Daniel, Zdarova-Karasova, Jana, Nepovimova, Eugenie, Soukup, Ondrej, Hrabinova, Martina, Mikler, John, Franca, Tanos C C, Da Cunha, Elaine F F, De Castro, Alexandre A, Valis, Martin, Ramalho, Teodorico C
Published in BMC pharmacology & toxicology (21.02.2018)
Published in BMC pharmacology & toxicology (21.02.2018)
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Recent Developments in Metal-Based Drugs and Chelating Agents for Neurodegenerative Diseases Treatments
Sales, Thais A, Prandi, Ingrid G, Castro, Alexandre A de, Leal, Daniel H S, Cunha, Elaine F F da, Kuca, Kamil, Ramalho, Teodorico C
Published in International journal of molecular sciences (12.04.2019)
Published in International journal of molecular sciences (12.04.2019)
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Silver(I) and Copper(II) 1,10-phenanthroline-5,6-dione complexes as promising antivirulence strategy against 'Leishmania': Focus on Gp63 (Leishmanolysin)
Oliveira, Simone S C, Correia, Claudyane A, Santos, Vanessa S, da Cunha, Elaine F F, de Castro, Alexandre A, Ramalho, Teodorico C, Devereux, Michael, McCann, Malachy, Branquinha, Marta H, Santos, André L S
Published in Tropical medicine and infectious disease (30.06.2023)
Published in Tropical medicine and infectious disease (30.06.2023)
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The Role of Intramolecular Interactions on the Bioactive Conformation of Epinephrine
Silva, Daniela R., Silla, Josué M., Santos, Lucas A., da Cunha, Elaine F. F., Freitas, Matheus P.
Published in Molecular informatics (01.06.2019)
Published in Molecular informatics (01.06.2019)
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Hydrophobic Noncovalent Interactions of Inosine-Phenylalanine: A Theoretical Model for Investigating the Molecular Recognition of Nucleobases
Santos, Lucas A, da Cunha, Elaine F. F, Freitas, Matheus P, Ramalho, Teodorico C
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (07.08.2014)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (07.08.2014)
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Theoretical Studies Applied to the Evaluation of the DFPase Bioremediation Potential against Chemical Warfare Agents Intoxication
Soares, Flávia V, de Castro, Alexandre A, Pereira, Ander F, Leal, Daniel H S, Mancini, Daiana T, Krejcar, Ondrej, Ramalho, Teodorico C, da Cunha, Elaine F F, Kuca, Kamil
Published in International journal of molecular sciences (23.04.2018)
Published in International journal of molecular sciences (23.04.2018)
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Understanding the Interaction Modes and Reactivity of Trimedoxime toward MmAChE Inhibited by Nerve Agents: Theoretical and Experimental Aspects
de Castro, Alexandre, Polisel, Daniel, Pereira, Bruna, da Cunha, Elaine, Kuca, Kamil, Nepovimova, Eugenie, Ramalho, Teodorico
Published in International journal of molecular sciences (05.09.2020)
Published in International journal of molecular sciences (05.09.2020)
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Improved Protocol for the Selection of Structures from Molecular Dynamics of Organic Systems in Solution: The Value of Investigating Different Wavelet Families
Gonçalves, Mateus A., Gonçalves, Arlan S., Franca, Tanos C. C., Santana, Mozarte S., da Cunha, Elaine F. F., Ramalho, Teodorico C.
Published in Journal of chemical theory and computation (11.10.2022)
Published in Journal of chemical theory and computation (11.10.2022)
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Trends in the Recent Patent Literature on Cholinesterase Reactivators (2016-2019)
de Castro, Alexandre A, Assis, Letícia C, Soares, Flávia V, Kuca, Kamil, Polisel, Daniel A, da Cunha, Elaine F F, Ramalho, Teodorico C
Published in Biomolecules (Basel, Switzerland) (12.03.2020)
Published in Biomolecules (Basel, Switzerland) (12.03.2020)
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Insights into the value of statistical models, solvent, and relativistic effects for investigating Re complexes of 2-(4′-aminophenyl)benzothiazole: a potential spectroscopic probe
Andolpho, Gustavo A., da Cunha, Elaine F. F., Ramalho, Teodorico C.
Published in Journal of molecular modeling (01.06.2022)
Published in Journal of molecular modeling (01.06.2022)
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Computer-Assisted Improvement of Sulfonylureas with Antifungal Properties and Limited Herbicidal Activity: Potential Application in Forage Conservation
de Faria, Adriana C, Daré, Joyce K, da Cunha, Elaine F. F, Freitas, Matheus P
Published in Journal of agricultural and food chemistry (16.03.2022)
Published in Journal of agricultural and food chemistry (16.03.2022)
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Toward the Classical Description of Halogen Bonds: A Quantum Based Generalized Empirical Potential for Fluorine, Chlorine, and Bromine
Santos, Lucas A, da Cunha, Elaine F. F, Ramalho, Teodorico C
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (30.03.2017)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (30.03.2017)
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Evaluation of autophagy inhibition to combat cancer: (vanadium complex)–protein interactions, parameterization, and validation of a new force field
Santos, Taináh M. R., Tavares, Camila A., Pereira, Ander F., da Cunha, Elaine F. F., Ramalho, Teodorico C.
Published in Journal of molecular modeling (01.04.2023)
Published in Journal of molecular modeling (01.04.2023)
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Fluorinated benzoxazinones designed via MIA‐QSAR, docking and molecular dynamics as protoporphyrinogen IX oxidase inhibitors
Faria, Adriana C., Martins, Francisco A., Cunha, Elaine F. F., Freitas, Matheus P.
Published in Journal of the science of food and agriculture (01.07.2024)
Published in Journal of the science of food and agriculture (01.07.2024)
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